Results 111 to 120 of about 469,475 (238)

Intramolecular halogen-halogen bonds?

By analysing the properties of the electron density in the structurally simple perhalogenated ethanes, X3C-CY3 (X, Y = F, Cl), a previously overlooked non-covalent attraction between halogens attached to opposite carbon atoms is found.
Swart, Marcel, Johansson, Mikael P.
core  

Theoretical Exploration of Halogen Bonding Interactions in the Complexes of Novel Nitroxide Radical Probes and Comparison with Hydrogen Bonds

, 2018
In this work, halogen bonding interactions in the complexes of two new nitroxide radicals, which contain both a halogen-bond-donor group and an electron-spin-resonance-active radical unit, were investigated using density functional theory calculations ...
Chengxi Zhao (5236244), Yunxiang Lu (1305909), Zhengdan Zhu (5236247), Honglai Liu (1425166)   +3 more
core   +1 more source

Quantum‐Trained AI Enables Inverse Design of Organic Frontier Orbitals at Billion‐Scale

Advanced Science, EarlyView.
Quantum‐trained AI links molecular substructures to frontier‐orbital energetics and enables interpretable screening across nearly one billion GDB‐13 molecules. By combining fragment‐ and ring‐level insights with donor–acceptor energy alignment against ITIC, the framework narrows an immense chemical space to a small set of promising candidates and ...
Yeongnam Ko, Se Jin Kim, Ki Chul Kim
wiley   +1 more source

Lattice Chloride Shielding and Reconstructed Phosphate Armor for Stable Seawater Electrolysis

Advanced Science, EarlyView.
A dual‐protection strategy integrating lattice Cl shielding with dynamically reconstructed phosphate armor enables selective OH adsorption and suppresses chloride‐induced corrosion during alkaline seawater electrolysis, delivering durable operation at industrial‐level current densities.
Yatao Yan, Yuxing Lin, Xing Chen, Shuo Yang, Ke Zhou, Jifang Chen, Lubin Ni, Ming Chen   +7 more
wiley   +1 more source

Self‐Assembly Pathways of Carbazole‐derived Macrocycles Into Nanotubular Architectures

Aggregate
Cooperative self‐assembly based on multiple non‐covalent interactions is ubiquitous in nature, yet the rational design of artificial cooperative systems remains challenging.
Yingbo Lu, Luyao Jin, Jianan Jin, Jiaqi Xuan, Jiani Wang, Zibin Zhang, Qiuchengyi Ye, Hua Yang, Zhigang Ni, Feng Wang, Shijun Li   +10 more
doaj   +1 more source

Crystal structure of 1-amino-3-(4-chlorophenyl)-2-cyano-3H-benzo[4,5]thiazolo[3,2-a]pyridine-4-carboxamide

Acta Crystallographica Section E: Crystallographic Communications
In the structure of the title compound, C19H13ClN4OS, the four atoms of the pyridinic ring that are not fused with the thiazole, including the sp3 C atom, lie significantly outside the benzothiazole plane.
Nadia H. Metwally, Galal H. Elgemeie, El-shimaa S. M. Abd Al-latif, Peter G. Jones   +3 more
doaj   +1 more source

Carbohydrate‐Mediated Cellular Uptake of Boronic Acid Hybrids In Cellulo and Insulin‐Deficient Zebrafish: Live Imaging and Application of Multiphoton FLIM

Advanced Science, EarlyView.
Boronic acid‐based fluorescent hybrids have been used as part of a versatile platform for real‐time metabolic bioimaging across cellular and organismal scales. Including glucose‐responsive imaging in living cells and in an insulin‐deficient vertebrate model, this work opens new opportunities for the development of precision diagnostics, metabolic ...
Haobo Ge, John S. Fossey, David Gonzalez Calatayud, Stephen E. Flower, Sabrina Wang, Hanna Aitessaid, Melita Tvardauskaite, Julia Dudzic, Max Jewell, Charareh Pourzand, Stanley W. Botchway, David Gurevich, Tony D. James, Sofia I. Pascu   +13 more
wiley   +1 more source

Self‐Healing Ionogel Dual‐Network Enables Synergistic Defect Passivation and Strain Relief for High‐Efficiency Robust Perovskite Photovoltaics

Advanced Science, EarlyView.
PSCs are afflicted by inherent defects and lattice strain that limit PCE and stability. A cross‐linked multifunctional ionogel [HA‐AA][EMIES] is developed to modulate crystallization, relieve residual strain, and passivate defects, extending carrier diffusion length to over 8 µm and delivering PCEs of 26.45% for rigid devices and 25.14% for flexible ...
Wen Wu, Gang Wang, Chen Liu, Xiao‐Li Du, Sheng Yang, Shao‐Long Wang, Jia‐Yi Tian, Ling‐Feng Chao, Xiang‐Feng Deng, Yi Jiang, Yong‐Hua Chen, Gui‐Chuan Xing, Wen‐Yong Lai   +12 more
wiley   +1 more source

Open Frameworks Formed from Iodoalkyne∙∙∙Halide Halogen Bonds [PDF]

Despite the apparently attractive characteristics of halogen bonds for preparing open/porous framework structures, very few such materials containing substantial void space have been reported.
Jordan, Smith, Nicholas, White
core   +2 more sources

Enhancing Quasi‐Two‐Dimensional Electronic Structure in Bi2O2Se via Chlorine Substitution

Advanced Science, EarlyView.
We demonstrate chlorine substitution as an effective strategy to transform Bi2O2Se into an exfoliatable van der Waals superlattice. Key electronic band feature, including indirect bandgap, effective mass is well preserved, while the 2D character of the system is sufficiently enhanced.
Yong‐Zhen Jiang, Qi‐Xun Wen, Xiang Xu, Su‐Tao Sun, Feng‐Fan Ren, Zi‐Xuan Zhou, Xing‐Yuan You, Yu‐Cheng Kan, Zheng Zhang, Jie‐Yi Liu, Yu‐Zhou Zhao, Zheng‐Tai Liu, Mao Ye, Shu‐Hua Yao, Jian Zhou, Yan‐Bin Chen, Zhong‐Kai Liu, Yu‐Lin Chen, Yang‐Yang Lv, Cheng Chen   +19 more
wiley   +1 more source